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GPCR

NameOxytocin receptor
SpeciesHomo sapiens (Human)
GeneOXTR
SynonymOTR
OT-R
OT receptor
DiseaseThreatened pre-term labour
Postpartum haemorrhage
Premature ejaculation
Miscarriage
Female sexual dysfunction
[ Show all ]
Length389
Amino acid sequenceMEGALAANWSAEAANASAAPPGAEGNRTAGPPRRNEALARVEVAVLCLILLLALSGNACVLLALRTTRQKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRVALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGRRLGETSASKKSNSSSFVLSHRSSSQRSCSQPSTA
UniProtP30559
Protein Data BankN/A
GPCR-HGmod modelP30559
3D structure modelThis predicted structure model is from GPCR-EXP P30559.
BioLiPN/A
Therapeutic Target DatabaseT84486
ChEMBLCHEMBL2049
IUPHAR369
DrugBankBE0000844

Ligand

NameMLS000530432
Molecular formulaC19H21ClN2O4S2
IUPAC name2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
Molecular weight440.957
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.1
SynonymsCHEMBL1409517
SMR000135410
2-[(4-chlorophenyl)thio]-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide
MCULE-5849322078
STL124015
[ Show all ]
Inchi KeyADRASFMZVRWGLU-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21ClN2O4S2/c1-14(27-17-6-2-15(20)3-7-17)19(23)21-16-4-8-18(9-5-16)28(24,25)22-10-12-26-13-11-22/h2-9,14H,10-13H2,1H3,(H,21,23)
PubChem CID2865612
ChEMBLCHEMBL1409517
IUPHARN/A
BindingDB75539
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC50<29910.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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